SCHEMBL3075742

SCHEMBL3075742

N#Cc1cccc(C(O)c2ccncc2C(O)c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
MGLL Q99685 1/20 0.39
KCNA5 P22460 4/20 0.39
KCNH2 Q12809 2/20 0.39
CYP19A1 P11511 1/20 0.38
GAA P10253 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
VNN1 O95497 1/20 0.37
GRM4 Q14833 1/20 0.36
TOP2A P11388 1/20 0.36
TOP2B Q02880 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
S1PR3 Q99500 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3059643 0.83 KCNA5 (0.49) SMN1; SMN2KCNA5KCNH2SLC22A12GABRA1
SCHEMBL3064355 0.82 KCNA5 (0.39) SMN1; SMN2MGLLKCNA5KCNH2CYP19A1
SCHEMBL4380408 0.81 CYP19A1 (0.42) SMN1; SMN2KCNA5CYP19A1VNN1GRM4
SCHEMBL1507787 0.81 TSHR (0.48) SMN1; SMN2MGLLGRM4S1PR3
SCHEMBL30961611 0.81 TSHR (0.48) SMN1; SMN2MGLLGRM4S1PR3
SCHEMBL3074853 0.81 VNN1 (0.38) MGLLKCNA5KCNH2CYP19A1SLC22A12
SCHEMBL3068022 0.79 VNN1 (0.48) SMN1; SMN2VNN1S1PR3
SCHEMBL9197340 0.79 SMN1; SMN2 (0.57) SMN1; SMN2MGLLKCNA5KCNH2CYP19A1
SCHEMBL13138815 0.76 SMN1; SMN2 (0.43) SMN1; SMN2KCNA5KCNH2GAA
SCHEMBL3064453 0.74 KCNA5 (0.53) KCNA5KCNH2SLC22A12GABRG2GABRB3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101128431-B Novel quinoline derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA NV 2011-05-25 CN disclosed
US-7790895-B2 Quinoline derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA NV (BE) 2010-09-07 US disclosed
US-7790895-B2 Quinoline derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA NV (BE) 2010-09-07 US disclosed
US-7671065-B2 Pyridine derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2010-03-02 US disclosed
US-7671065-B2 Pyridine derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2010-03-02 US disclosed
CN-101128431-A Novel quinoline derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA NV (BE) 2008-02-20 CN disclosed
CN-101128428-A Pyridine derivatives as potassium channel openers JANSSEN PHARMACEUTICA NV (BE) 2008-02-20 CN disclosed
EP-1858853-A2 NOVEL PYRIDINE DERIVATIVES AS POTASSIUM ION CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-28 EP disclosed
EP-1853564-A1 NOVEL QUINOLINE DERIVATIVES AS POTASSIUM ION CHANNEL OPENERS Janssen Pharmaceutica N.V. (BE) 2007-11-14 EP disclosed
US-20070054936-A1 Novel quinoline derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 US disclosed
US-20070054936-A1 Novel quinoline derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 US disclosed
US-20070054935-A1 Novel pyridine derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 US disclosed
US-20070054935-A1 Novel pyridine derivatives as potassium ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 US disclosed
WO-2006091769-A1 NOVEL QUINOLINE DERIVATIVES AS POTASSIUM ION CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-31 WO disclosed
WO-2006091800-A2 NOVEL PYRIDINE DERIVATIVES AS POTASSIUM ION CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-31 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070054936-A1 Novel quinoline derivatives as potassium ion channel openers KCNQ1, KCNQ2, KCNJ2 SMN1; SMN2 1987/4885MGLL 3584/4885KCNA5 25/4885
US-20070054935-A1 Novel pyridine derivatives as potassium ion channel openers KCNJ2, KCNQ2, KCNQ1 SMN1; SMN2 963/4885MGLL 3855/4885KCNA5 27/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.